UCSF

ZINC59090399

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.03 12.06 -112.75 3 2 2 21 286.548 13
Hi High (pH 8-9.5) 6.03 11.01 -31.6 2 2 1 16 285.54 13
Mid Mid (pH 6-8) 6.03 9.24 -33.64 2 2 1 20 285.54 13

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )